Cas no 5453-86-1 (Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate)
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 1,2-Benzisoxazole-3-carboxylicacid, 6-nitro-, methyl ester
- METHYL 6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE
- methyl 6-nitro-1,2-benzoxazole-3-carboxylate
- BEN175
- Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate
- methyl 6-nitrobenzisoxazole-3-carboxylate
- FT-0735680
- 5453-86-1
- DTXSID60280841
- NSC18904
- METHYL6-NITRO-1,2-BENZISOXAZOLE-3-CARBOXYLATE
- D76376
- A913740
- SCHEMBL17437900
- RDAMDINPNCIMJD-UHFFFAOYSA-N
- AKOS005082253
- MFCD00083016
- 1G-437S
- METHYL-5-NITRO BENZ ISOXAZOLE-2-CARBOXYLATE
- NSC 18904
- CS-0103847
- NSC-18904
- Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate
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- Inchi: 1S/C9H6N2O5/c1-15-9(12)8-6-3-2-5(11(13)14)4-7(6)16-10-8/h2-4H,1H3
- InChI Key: RDAMDINPNCIMJD-UHFFFAOYSA-N
- SMILES: O1C2C=C(C=CC=2C(C(=O)OC)=N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 222.02800
- Monoisotopic Mass: 222.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 98.2?2
Experimental Properties
- Density: 1.487
- Boiling Point: 389 °C at 760 mmHg
- Flash Point: 189 °C
- Refractive Index: 1.625
- PSA: 98.15000
- LogP: 2.04580
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate Customs Data
- HS CODE:2934999090
- Customs Data:
China Customs Code:
2934999090Overview:
2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | M147455-0.5mg |
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate |
5453-86-1 | 0.5mg |
$ 50.00 | 2022-06-04 | ||
| TRC | M147455-1mg |
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate |
5453-86-1 | 1mg |
$ 80.00 | 2022-06-04 | ||
| TRC | M147455-2.5mg |
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate |
5453-86-1 | 2.5mg |
$ 155.00 | 2022-06-04 | ||
| Chemenu | CM521931-1g |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | 95% | 1g |
$*** | 2023-05-30 | |
| A2B Chem LLC | AG24775-1mg |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 1mg |
$201.00 | 2024-04-19 | |
| A2B Chem LLC | AG24775-5mg |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 5mg |
$214.00 | 2024-04-19 | |
| A2B Chem LLC | AG24775-10mg |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 10mg |
$240.00 | 2024-04-19 | |
| A2B Chem LLC | AG24775-500mg |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 500mg |
$720.00 | 2024-04-19 | |
| A2B Chem LLC | AG24775-1g |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 1g |
$1295.00 | 2024-04-19 | |
| A2B Chem LLC | AG24775-5g |
Methyl 6-nitrobenzo[d]isoxazole-3-carboxylate |
5453-86-1 | >90% | 5g |
$4744.00 | 2024-04-19 |
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
Additional information on Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate
Recent Advances in the Study of Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate (CAS: 5453-86-1)
Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate (CAS: 5453-86-1) is a chemical compound that has garnered significant attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its nitro-substituted benzisoxazole core, has been explored for its potential applications in drug discovery and development. Recent studies have focused on its synthesis, biological activity, and potential therapeutic uses, making it a subject of interest for researchers aiming to develop novel pharmacological agents.
The synthesis of Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate has been optimized in recent years to improve yield and purity. Researchers have employed various catalytic and non-catalytic methods, including microwave-assisted synthesis, to achieve efficient production. These advancements have facilitated the compound's availability for further biological evaluation. The compound's structural features, particularly the nitro group and the benzisoxazole moiety, are believed to contribute to its reactivity and potential interactions with biological targets.
In terms of biological activity, Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate has shown promise in preliminary studies as an inhibitor of specific enzymes involved in inflammatory and oncogenic pathways. For instance, recent in vitro assays have demonstrated its ability to modulate the activity of cyclooxygenase-2 (COX-2) and certain kinases, suggesting potential applications in anti-inflammatory and anticancer therapies. However, further in vivo studies are required to validate these findings and assess the compound's pharmacokinetic and toxicological profiles.
Another area of interest is the compound's potential role in the development of prodrugs. The ester functional group in Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate can be hydrolyzed under physiological conditions, releasing active metabolites. This property has been exploited in the design of prodrugs aimed at improving drug delivery and bioavailability. Recent research has explored the coupling of this compound with various therapeutic agents to enhance their efficacy and reduce side effects.
Despite these promising developments, challenges remain in the clinical translation of Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate. Issues such as solubility, stability, and potential toxicity need to be addressed through systematic preclinical studies. Additionally, the compound's mechanism of action at the molecular level requires further elucidation to optimize its therapeutic potential. Collaborative efforts between chemists, biologists, and pharmacologists will be essential to overcome these hurdles.
In conclusion, Methyl 6-nitro-1,2-benzisoxazole-3-carboxylate (CAS: 5453-86-1) represents a versatile scaffold with significant potential in drug discovery. Recent advancements in its synthesis and biological evaluation have laid the groundwork for future research. As the understanding of its pharmacological properties deepens, this compound may pave the way for the development of novel therapeutic agents targeting a range of diseases. Continued investment in research and development will be crucial to unlocking its full potential.
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